Vitas-M small molecule compound
2-[(4-nitrophenyl)amino]-2-oxoethyl [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Catalog ID
STL477084
SMILES CCn1c2ccccc2c2c1nc(SCC(=O)OCC(=O)Nc1ccc(cc1)[N+](=O)[O-])nn2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H18N6O5S MW 466.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O5S/c1-2-26-16-6-4-3-5-15(16)19-20(26)23-21(25-24-19)33-12-18(29)32-11-17(28)22-13-7-9-14(10-8-13)27(30)31/h3-10H,2,11-12H2,1H3,(H,22,28)InChIKey
URPLBZRWKQKBFH-UHFFFAOYSA-NSynonyms
462097-85-4(2(4NITROANILINO)2OXOETHYL)2((5ETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETATE
2((4nitrophenyl)amino)2oxoethyl((5ethyl5H(124)triazino(56b)indol3yl)sulfanyl)acetate
462097854
CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)NC4=CC=C(C=C4)(N+)(=O)(O)
CCn1c2ccccc2c2c1nc(SCC(=O)OCC(=O)Nc1ccc(cc1)(N+)(=O)(O))nn2
InChI=1SC21H18N6O5Sc122616643515(16)1920(26)2321(252419)331218(29)321117(28)22137914(10813)27(30)31h310H21112H21H3(H2228)
MFCD03170197
ZINC000033941755
ZINC33941755
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